REMARK Name = BDB058147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.838 -0.792 1.860 0.00 0.00 +0.182 C ATOM 2 C LIG 1 1.746 -0.461 0.815 0.00 0.00 +0.241 C ATOM 3 O LIG 1 1.602 0.693 0.390 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.896 -1.474 0.428 0.00 0.00 -0.285 N ATOM 5 C LIG 1 1.036 -2.909 0.662 0.00 0.00 +0.077 C ATOM 6 C LIG 1 -0.226 -3.500 0.015 0.00 0.00 +0.025 C ATOM 7 C LIG 1 -0.497 -2.555 -1.150 0.00 0.00 +0.034 C ATOM 8 C LIG 1 1.217 -3.407 2.103 0.00 0.00 +0.026 C ATOM 9 C LIG 1 0.526 -2.603 3.205 0.00 0.00 +0.029 C ATOM 10 C LIG 1 1.263 -1.416 3.773 0.00 0.00 -0.029 C ATOM 11 C LIG 1 -0.132 -1.190 -0.570 0.00 0.00 +0.162 C ATOM 12 C LIG 1 2.245 -0.670 3.237 0.00 0.00 +0.000 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.934 0.020 0.877 0.00 0.00 +0.238 C ATOM 14 N LIG 1 3.867 0.234 1.733 0.00 0.00 -0.299 N ATOM 15 H LIG 1 3.502 1.178 1.757 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 5.196 -1.092 0.423 0.00 0.00 -0.273 OA BRANCH 13 17 ATOM 17 C LIG 1 5.785 1.285 0.609 0.00 0.00 +0.190 C BRANCH 17 19 ATOM 18 C LIG 1 7.855 0.220 0.516 0.00 0.00 +0.135 C ATOM 19 N LIG 1 7.031 0.968 -0.125 0.00 0.00 -0.287 NA ENDBRANCH 17 19 BRANCH 17 20 ATOM 20 C LIG 1 5.013 2.342 -0.196 0.00 0.00 +0.033 C ATOM 21 C LIG 1 4.538 1.857 -1.561 0.00 0.00 +0.006 C ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 11 22 ATOM 22 C LIG 1 -1.375 -0.519 0.051 0.00 0.00 +0.234 C ATOM 23 N LIG 1 -2.126 0.197 -0.858 0.00 0.00 -0.303 N ATOM 24 H LIG 1 -1.735 0.421 -1.761 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 -1.707 -0.667 1.225 0.00 0.00 -0.274 OA BRANCH 23 26 ATOM 26 C LIG 1 -3.327 0.914 -0.463 0.00 0.00 +0.134 C BRANCH 26 27 ATOM 27 C LIG 1 -4.593 0.084 -0.661 0.00 0.00 -0.023 A ATOM 28 C LIG 1 -5.736 0.386 0.100 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -6.920 -0.334 -0.067 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.983 -1.366 -1.001 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.863 -1.677 -1.768 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.677 -0.957 -1.602 0.00 0.00 +0.006 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 -3.338 2.269 -1.166 0.00 0.00 -0.023 A ATOM 34 C LIG 1 -2.613 3.333 -0.600 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -2.561 4.579 -1.226 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.224 4.779 -2.434 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.936 3.733 -3.018 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -3.987 2.485 -2.393 0.00 0.00 +0.006 A ENDBRANCH 26 33 ENDBRANCH 23 26 ENDBRANCH 11 22 TORSDOF 8